General Information of the Compound
Compound ID
CP0041688
Compound Name
2-nitro-N-(8-quinolinyl)benzenesulfonamide
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Synonyms
2-Nitro-N-quinolin-8-yl-benzenesulfonamide
2-nitro-N-(8-quinolyl)benzenesulfonamide
2-nitro-N-(quinolin-8-yl)benzenesulfonamide
2-nitro-N-quinolin-8-ylbenzenesulfonamide
AC1LEORR
AKOS033118464
BDBM60287
CBDivE_007245
CBKinase1_000077
CBKinase1_012477
CHEMBL270605
Cambridge id 5175135
MCULE-3457699063
MLS001123640
MolPort-002-134-446
N-(8-Quinolyl)-2-nitrobenzenesulfonamide
NCGC00161682-01
NCGC00161682-02
NCGC00161682-03
Oprea1_237550
SCHEMBL11973295
SMR000658615
YCXUFEOBLVZNAP-UHFFFAOYSA-N
ZINC175212
cid_739449
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Structure
Formula
C15H11N3O4S
Molecular Weight
329.337
Canonical SMILES
[O-][N+](=O)c1ccccc1S(=O)(=O)Nc1cccc2cccnc12
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InChI
InChI=1S/C15H11N3O4S/c19-18(20)13-8-1-2-9-14(13)23(21,22)17-12-7-3-5-11-6-4-10-16-15(11)12/h1-10,17H
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InChIKey
YCXUFEOBLVZNAP-UHFFFAOYSA-N
Physicochemical Property
logP
2.9438
Rotatable Bonds
4
Heavy Atom Count
23
Polar Areas
102.2
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
23

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 739449
SID: 144111297
ChEMBL ID
CHEMBL270605
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT06109, Geminin
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000015 SW480
 Cell Line Info 
Homo sapiens (Human)  1
1
Potency ~ 12995.3 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT06172, Mothers against decapentaplegic homolog 3
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000063 Hep-G2
 Cell Line Info 
Homo sapiens (Human)  1
1
Potency ~ 8199.5 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT05222, NF-kappa-B inhibitor alpha
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000106 OCI-Ly3
 Cell Line Info 
Homo sapiens (Human)  2
1
EC50 = 11000 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
2
EC50 = 12000 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT06104, Solute carrier family 40 member 1
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000031 MDCK
 Cell Line Info 
Canis lupus familiaris (Dog)  1
1
IC50 = 2900 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 2-nitro-N-(quinolin-8-yl)benzenesulfonamide )
Drug Name 2-nitro-N-(quinolin-8-yl)benzenesulfonamide